Enum: PeriodicBoundaryConditions

What directions in a simulation cell periodic boundaries are set if they are turned on.

URI: https://CCPBioSim.ac.uk/biosim-schema/PeriodicBoundaryConditions

Permissible Values

Value	Meaning	Description
None	None	No PBC
xyz	None	all axes
xy	None	only xy plane
xz	None	only xz plane
yz	None	only yz plane

Slots

Name	Description
periodic_boundary_conditions	What directions in a simulation cell periodic boundaries are set if they are …

Identifier and Mapping Information

Schema Source

• from schema: https://CCPBioSim.ac.uk/biosim-schema/

LinkML Source

name: PeriodicBoundaryConditions
description: What directions in a simulation cell periodic boundaries are set if they
  are turned on.
from_schema: https://CCPBioSim.ac.uk/biosim-schema/
rank: 1000
permissible_values:
  None:
    text: None
    description: No PBC
    annotations:
      engine_mapping:
        tag: engine_mapping
        value:
        - engine: gromacs
          key: pbc
          value: false
  xyz:
    text: xyz
    description: all axes
    annotations:
      engine_mapping:
        tag: engine_mapping
        value:
        - engine: gromacs
          key: pbc
          value: xyz
  xy:
    text: xy
    description: only xy plane
    annotations:
      engine_mapping:
        tag: engine_mapping
        value:
        - engine: gromacs
          key: pbc
          value: xy
  xz:
    text: xz
    description: only xz plane
  yz:
    text: yz
    description: only yz plane